4BPC

Structure of the Catalytic Domain of Protein Tyrosine Phosphatase Sigma in the Sulfenic Acid Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-30
Detector	ADSC QUANTUM 315
Spacegroup name	P 61
Unit cell lengths	94.672, 94.672, 123.423
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.560 - 2.100
R-factor	0.18042
Rwork	0.178
R-free	0.22198
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fh7
RMSD bond length	0.017
RMSD bond angle	1.736
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.330
Number of reflections	36574
<I/σ(I)>		7.4
Completeness [%]	98.2	95.4
Redundancy	5.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.8M SUCCINIC ACID, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K